EPW Forum

Hi Prachi,

I noticed;

"Electron-phonon coupling strength = 0.0845567"

which is very small, and Tc is zero

Best,
Hari

Hi Lewis,

Thank you for letting us know. Yes, you are right, there is something wrong going on during the restart. I will fix this as soon as possible.

Best,
Hari

Hi Sahil, I would recommend going through this tutorial https://epwdoc.gitlab.io/source/doc/MgB2.html step by step where I have explained all the file formats and the way to plot them. In addition, I recommend using the latest version (QE-v7.1) of the code where we have updated many things. Best, Hari

Hi Sourav, Please read this input description https://docs.epw-code.org/doc/Inputs.html#eig-read You need to provide the same number of bands as in the nscf calculations and all k-points through 'prefix.eig' file. To obtain 'prefix.eig' file with HSE calculation, use uniform k-points (provide a list...

Hi Sourav,

EPW does not support the calculations with DFT + U.

Best,
Hari

Hi mkmr484,

Please contact the Wannier90 team for questions related to Wannier90 or pw2wanniwe90 at http://www.wannier.org/support/

Also, you may need to read the Wannier90 manual and follow the Wannier90 tutorials.

And please sign your name and affiliation in your future posts.

Best,
Hari

Hi Prachi, If you look at your output file (calculated with lifc = .true.), it is explicitly written "Dyn mat calculated from ifcs" from the following line of the code; https://gitlab.com/QEF/q-e/-/blob/develop/EPW/src/dynmat_asr.f90#L531 Maybe I did not understand what you mean by "what I can do no...

Hi Sumit,

Can you confirm your wannier bands (prefix_bands.dat) are on top of DFT bands?

Best,
Hari

Hi Rushik,

Do you know which compilers/libraries are used to compile your epw? It looks like you did not correctly load those modules in your job submission script.

Best,
Hari

Hi Sumit, It looks like you have used a larger "ecut" value in scf.in (and also in nscf.in) during your EPW calculation than that you have used in your scf.in during the phonon calculation, could your double check? The EPW code expects consistency in some of these input parameters used during the ph...